2-Selenophenecarboxylic acid methyl ester
TL;DR: 2-Selenophenecarboxylic acid methyl ester (CAS 39697-33-1) is a chemical compound with molecular formula C6H6O2Se and molecular weight 189.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl selenophene-2-carboxylate
Also Known As: methyl selenophene-2-carboxylate, 2-Selenophenecarboxylic acid methyl ester, Selenophene-2-carboxylic acid methyl ester, RefChem:267026
| Molecular Formula | C6H6O2Se |
|---|---|
| Molecular Weight | 189.95 g/mol |
| LogP | 0.5302 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.9533 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 39697-33-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C[Se]1 |
| InChIKey | XESQDRVDXNQVKY-UHFFFAOYSA-N |
Product Overview
2-Selenophenecarboxylic acid methyl ester (CAS 39697-33-1), with molecular formula C6H6O2Se and molecular weight 189.95 g/mol. IUPAC: methyl selenophene-2-carboxylate.
Chemical Property Profile of 2-Selenophenecarboxylic acid methyl ester
Property Insights of 2-Selenophenecarboxylic acid methyl ester
The XLogP value of 0.5302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Selenophenecarboxylic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Selenophenecarboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Selenophenecarboxylic acid methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Selenophenecarboxylic acid methyl ester?
The CAS number of 2-Selenophenecarboxylic acid methyl ester is 39697-33-1.
What is the molecular formula of 2-Selenophenecarboxylic acid methyl ester?
The molecular formula of 2-Selenophenecarboxylic acid methyl ester is C6H6O2Se.
What is the molecular weight of 2-Selenophenecarboxylic acid methyl ester?
The molecular weight of 2-Selenophenecarboxylic acid methyl ester is 189.95 g/mol.
Where can I buy 2-Selenophenecarboxylic acid methyl ester?
You can request a quote for 2-Selenophenecarboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Selenophenecarboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Selenophenecarboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.